Geometry & MOs

Info

ID:	352253
PubChem CID:	127283335
Reduced:	S2O3N5C15H19 (1)
Stoich.:	A2B3C5D15E19 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	-55.84
Dipole, Da:	5.95
IP(EA), eV:	-9.38(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations